E235-0329 Screening compound: 2-(4-methoxyphenyl)-N~7~-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

E235-0329 Screening compound: 2-(4-methoxyphenyl)-N~7~-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
E235-0329 Screening compound: 2-(4-methoxyphenyl)-N~7~-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-0329
2-(4-methoxyphenyl)-N~7~-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E235-0329

Molecular Formula

C24H16F3N3O2S (C24 H16 F3 N3 O2 S)

Compound Name

2-(4-methoxyphenyl)-N~7~-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

IUPAC name

4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene-10-carboxamide

SMILES

COc(cc1)ccc1-c1cn(c(ccc(C(Nc2cc(C(F)(F)F)ccc2)=O)c2)c2s2)c2n1

InChI

InChI=1S/C24H16F3N3O2S/c1-32-18-8-5-14(6-9-18)19-13-30-20-10-7-15(11-21(20)33-23(30)29-19)22(31)28-17-4-2-3-16(12-17)24(25,26)27/h2-13H,1H3,(H,28,31)

InChI Key

FQICGTLWMYRRTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.409

Distribution Coefficient, logD

6.382

Water Solubility, LogSw

-5.73

Polar Surface Area

39.580

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E235-0329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E235-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-0329?
Check Price and Availability of E235-0329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E235-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-0329
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E235-0329 available by request